2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C19H25N5OS/c1-14-21-22-19(24(14)17-8-9-17)26-13-18(25)20-16-6-4-15(5-7-16)12-23-10-2-3-11-23/h4-7,17H,2-3,8-13H2,1H3,(H,20,25)/p+1